1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(1,3-benzothiazol-6-yl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=C(C=C2)N=CS3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=C(C=C2)N=CS3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H25N7O2S/c22-13-23-21(25-15-6-7-16-18(11-15)31-14-24-16)26-17-5-1-2-10-28(20(17)30)12-19(29)27-8-3-4-9-27/h6-7,11,14,17H,1-5,8-10,12H2,(H2,23,25,26)